CID 82718497

3-(aminomethyl)-2-methyloxolan-3-ol

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC1C(CCO1)(CN)O
InChI
InChI=1S/C6H13NO2/c1-5-6(8,4-7)2-3-9-5/h5,8H,2-4,7H2,1H3
InChIKey
JPSVZTKDIWJGDJ-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-2-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.09464 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 125.9
[M+Na]+ 154.083858 132.9
[M-H]- 130.087364 128.4
[M+NH4]+ 149.128463 149.2
[M+K]+ 170.057798 133.0
[M+H-H2O]+ 114.091900 122.1
[M+HCOO]- 176.092841 147.6
[M+CH3COO]- 190.108491 169.3
[M+Na-2H]- 152.069306 131.9
[M]+ 131.09409142 123.0
[M]- 131.09518858 123.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.